4-methoxy-3-(oxan-2-ylmethoxy)aniline

C13H19NO3 — CID 43591699

IUPAC4-methoxy-3-(oxan-2-ylmethoxy)aniline
SMILESCOc1ccc(N)cc1OCC1CCCCO1
InChIInChI=1S/C13H19NO3/c1-15-12-6-5-10(14)8-13(12)17-9-11-4-2-3-7-16-11/h5-6,8,11H,2-4,7,9,14H2,1H3
InChIKeyOKLOKCLHBIJNKF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.23
Rot. Bonds4

About 4-methoxy-3-(oxan-2-ylmethoxy)aniline

4-methoxy-3-(oxan-2-ylmethoxy)aniline (PubChem CID 43591699) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methoxy-3-(oxan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-methoxy-3-(oxan-2-ylmethoxy)aniline
PubChem CID43591699
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-methoxy-3-(oxan-2-ylmethoxy)aniline
SMILESCOc1ccc(N)cc1OCC1CCCCO1
InChIInChI=1S/C13H19NO3/c1-15-12-6-5-10(14)8-13(12)17-9-11-4-2-3-7-16-11/h5-6,8,11H,2-4,7,9,14H2,1H3
InChIKeyOKLOKCLHBIJNKF-UHFFFAOYSA-N
XLogP2.23
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
4-bromo-3-(oxolan-2-ylmethoxy)aniline
CID 103008573
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
4-methoxy-2-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 81303078
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
CID 43380107
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxan-2-ylmethoxy)aniline?
The IUPAC name of 4-methoxy-3-(oxan-2-ylmethoxy)aniline (CID 43591699) is 4-methoxy-3-(oxan-2-ylmethoxy)aniline.
What is the SMILES notation for 4-methoxy-3-(oxan-2-ylmethoxy)aniline?
The canonical SMILES for 4-methoxy-3-(oxan-2-ylmethoxy)aniline is COc1ccc(N)cc1OCC1CCCCO1.
What is the InChIKey of 4-methoxy-3-(oxan-2-ylmethoxy)aniline?
The InChIKey is OKLOKCLHBIJNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-12-6-5-10(14)8-13(12)17-9-11-4-2-3-7-16-11/h5-6,8,11H,2-4,7,9,14H2,1H3.
What are the key properties of 4-methoxy-3-(oxan-2-ylmethoxy)aniline?
4-methoxy-3-(oxan-2-ylmethoxy)aniline has a molecular weight of 237.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxan-2-ylmethoxy)aniline is sourced from PubChem (CID 43591699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).